化学传感器 : 仿真与建模. 第4卷, 光学传感器

PREFACE

ABOUT THE EDITOR

CONTRIBUTORS

1 ATOMISTIC SIMULATION OF HIERARCHICAL NANOSTRUCTURED MATERIALS FOR OPTICAL CHEMICAL SENSING

1 Introduction

2 Hierarchical Nanomaterials: Construction and Organization Principles; Materials Construction by the Bottom-Up Principle

2.1 Hierarchical Nanomaterials for Nanophotonics and Their Sensing Potentialities

2.2 Space-Time Scale Hierarchy and the Structure of Nanomaterials for Nanophotonics

2.3 Structure of Nanomaterials for Optical Chemical Sensors: From a Molecule to a Supramolecular Center, Nanoparticle,and Nanomaterial

3 Hierarchy ofAtomistic Simulation Methods Corresponding to Scale Hierarchy

4 Atomistic Multiscale Simulation of Hierarchical Nanomaterials for Optical Chemical Sensors: Step by Step

4.1 Supramolecular Level: Calculations of Molecular Interactions between Gas-Phase Analyte Molecules and Simple Substrate Models

4.2 Supramolecular Level: DFT Calculations of the 9-Diphenylaminoacridine (9-DPAA) Fluorescent Indicator and Its Interactions with Analyte Molecules

4.3 Multiscale Level: MD/DFT Slab Modeling of the Adsorption of Simple Organic and Inorganic Molecules on an Amorphous Silica Surface

4.4 Multiscale Level: MD/DFT Cluster Modeling of a 9-DPAA/ Silica RC and Its Interaction with Small Analyte Molecules

4.5 Multiscale Level: MD/DFT Cluster Modeling of the Effect of Analyte Molecules on the Absorption and Fluorescence Spectra of a 9-DPAA/Silica RC

4.6 Multiscale Level: Modeling the Structure and Spectra of an RC Based on the Nile Red Dye Adsorbed on the Surface of Polystyrene

5 Prospects and Outlook

Acknowledgments

References

2 SELF-ASSEMBLING AND MODELING OF SENSING LAYERS: PHOTONIC CRYSTALS

1 Introduction

2 Photonic Crystals

3 Methods of Modeling Spontaneous Emission Modification

3.1 Correspondence Principle

3.2 Dipole Near a Surface

3.3 Modeling the Modification of Spontaneous Emission Based on the Finite-Difference Time-Domain Method

4 Conclusion

References

3 OPTICAL SENSING BY METAL OXIDE NANOSTRUCTURES: PHENOMENOLOGY AND BASIC PROPERTIES

1 Introduction

2 Optochemical Sensing by Oxide Materials: Methods Not Based on Photoluminescence

2.1 Approaches to Optical Sensing

2.2 Oxide-Based Optochemical Sensing Using Absorbance

Responses

4 SIMULATION AND MODELING OF HYDROGEN LEAK SENSORS BASED ON OPTICAL FIBER GRATINGS

5 SIMULATION AND MODELING OF SURFACE PLASMON RESONANCE-BASED FIBER OPTICAL SENSORS

INDEX

Momentum Press is Proud to bring to you Chemical Sensors: Simulation and Modeling Volume 4: Opti cal Sensors,edited by Ghenadii Koroteenkov. This is the fourth of a new multi-volume comprehensive reference work that provides computer simulation and modeling techniques in various fields
　　 of chemical sensing and the important applications for chemical sensing such as bulk and surfacc diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, and interphasc interactions.